HMDB0005842
     RDKit          3D
2-Oxohexane
 19 18  0  0  0  0  0  0  0  0999 V2000
    3.0534    0.0625   -0.1470 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7052   -0.2399    0.4496 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5693    0.2051   -0.4592 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7260   -0.1504    0.2447 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9151    0.2385   -0.5513 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2520   -0.0475    0.0116 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8121    0.7726   -1.6270 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9909    0.4992   -1.1617 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6747   -0.8566   -0.1645 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6288    0.8017    0.4655 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5849   -1.3181    0.6811 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6530    0.2884    1.4243 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6124   -0.3860   -1.3971 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5815    1.2777   -0.6521 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7326   -1.2294    0.5273 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7752    0.4099    1.2079 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6326    0.8887    0.4826 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2675   -0.8972    0.7119 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9412   -0.3191   -0.8277 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  2  0
  1  8  1  0
  1  9  1  0
  1 10  1  0
  2 11  1  0
  2 12  1  0
  3 13  1  0
  3 14  1  0
  4 15  1  0
  4 16  1  0
  6 17  1  0
  6 18  1  0
  6 19  1  0
M  END